2-[4-[(2-hydroxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol

C18H20N4O2 — CID 171057776

IUPAC2-[4-[(2-hydroxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol
SMILESCc1ccc(-c2nnc(NCC(C)(C)O)c3cnccc23)c(O)c1
InChIInChI=1S/C18H20N4O2/c1-11-4-5-13(15(23)8-11)16-12-6-7-19-9-14(12)17(22-21-16)20-10-18(2,3)24/h4-9,23-24H,10H2,1-3H3,(H,20,22)
InChIKeyRWXLNDRFDPRGOM-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.89
Rot. Bonds4

About 2-[4-[(2-hydroxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol

2-[4-[(2-hydroxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol (PubChem CID 171057776) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[4-[(2-hydroxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol.

Molecular Properties

Compound Name2-[4-[(2-hydroxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol
PubChem CID171057776
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[4-[(2-hydroxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol
SMILESCc1ccc(-c2nnc(NCC(C)(C)O)c3cnccc23)c(O)c1
InChIInChI=1S/C18H20N4O2/c1-11-4-5-13(15(23)8-11)16-12-6-7-19-9-14(12)17(22-21-16)20-10-18(2,3)24/h4-9,23-24H,10H2,1-3H3,(H,20,22)
InChIKeyRWXLNDRFDPRGOM-UHFFFAOYSA-N
XLogP2.89
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(2-hydroxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol with MolForge

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Related Compounds

1-(3-Hydroxyanilino)-4-(4-pyridylmethyl)phthalazine
CID 6419391
7-(6-(Methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)isoquinolin-6-ol
CID 136607554
US11208399, Example 46
CID 155284711
US11208399, Example 28
CID 155284545
5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol
CID 166151232
2-[8-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[2,3-d]pyridazin-5-yl]-5-(trifluoromethyl)phenol
CID 166518667
2-[5-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[2,3-d]pyridazin-8-yl]-5-(trifluoromethyl)phenol
CID 166518684
rac-5-(4-(((1R,2R)-2-hydroxycyclohexyl)amino)pyrido[3,4-d]pyridazin-1-yl)-2,3-dihydro-1H-inden-4-ol
CID 175670830
4-[5-(4-hydroxyphenyl)-3-(pyridin-4-ylmethylamino)-1H-pyrazol-4-yl]phenol
CID 137224975
3-[4-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-1-yl]bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
CID 178320046
US11970463, Example 45
CID 166456028
US11970463, Example 83
CID 166456035

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-hydroxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol?
The IUPAC name of 2-[4-[(2-hydroxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol (CID 171057776) is 2-[4-[(2-hydroxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol.
What is the SMILES notation for 2-[4-[(2-hydroxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol?
The canonical SMILES for 2-[4-[(2-hydroxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol is Cc1ccc(-c2nnc(NCC(C)(C)O)c3cnccc23)c(O)c1.
What is the InChIKey of 2-[4-[(2-hydroxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol?
The InChIKey is RWXLNDRFDPRGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-4-5-13(15(23)8-11)16-12-6-7-19-9-14(12)17(22-21-16)20-10-18(2,3)24/h4-9,23-24H,10H2,1-3H3,(H,20,22).
What are the key properties of 2-[4-[(2-hydroxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol?
2-[4-[(2-hydroxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol has a molecular weight of 324.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-hydroxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol is sourced from PubChem (CID 171057776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).